4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-2-amine

C19H31NO — CID 66361974

About 4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-2-amine

4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-2-amine (PubChem CID 66361974) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-2-amine.

Molecular Properties

• Compound Name: 4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-2-amine
• PubChem CID: 66361974
• Molecular Formula: C19H31NO
• Molecular Weight: 289.46 g/mol
• Exact Mass: 289.24
• IUPAC Name: 4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-2-amine
• SMILES: CCCNC(C)C(CC1Cc2cc(C)ccc2O1)C(C)C
• InChI: InChI=1S/C19H31NO/c1-6-9-20-15(5)18(13(2)3)12-17-11-16-10-14(4)7-8-19(16)21-17/h7-8,10,13,15,17-18,20H,6,9,11-12H2,1-5H3
• InChIKey: FIGPBTQYOGLQJS-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.46
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-2-amine?

The IUPAC name of 4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-2-amine (CID 66361974) is 4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-2-amine.

What is the SMILES notation for 4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-2-amine?

The canonical SMILES for 4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-2-amine is CCCNC(C)C(CC1Cc2cc(C)ccc2O1)C(C)C.

What is the InChIKey of 4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-2-amine?

The InChIKey is FIGPBTQYOGLQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-6-9-20-15(5)18(13(2)3)12-17-11-16-10-14(4)7-8-19(16)21-17/h7-8,10,13,15,17-18,20H,6,9,11-12H2,1-5H3.

What are the key properties of 4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-2-amine?

4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-2-amine has a molecular weight of 289.46 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-2-amine is sourced from PubChem (CID 66361974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).